(2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol

C10H18I2O — CID 15311190

IUPAC(2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol
SMILESCC(C)=CCC[C@@](C)(I)[C@@H](O)CI
InChIInChI=1S/C10H18I2O/c1-8(2)5-4-6-10(3,12)9(13)7-11/h5,9,13H,4,6-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyUGBJNFWVVRBOBB-VHSXEESVSA-N
MW408.06 g/mol
LogP3.72
Rot. Bonds5

About (2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol

(2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol (PubChem CID 15311190) has the molecular formula C10H18I2O and a molecular weight of 408.06 g/mol. Its IUPAC name is (2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol
PubChem CID15311190
Molecular FormulaC10H18I2O
Molecular Weight408.06 g/mol
Exact Mass407.94
IUPAC Name(2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol
SMILESCC(C)=CCC[C@@](C)(I)[C@@H](O)CI
InChIInChI=1S/C10H18I2O/c1-8(2)5-4-6-10(3,12)9(13)7-11/h5,9,13H,4,6-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyUGBJNFWVVRBOBB-VHSXEESVSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.06
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-3,3,7-trimethyloct-6-en-2-ol
CID 89306625
(2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol
CID 10976249
4,4,8-trimethylnon-7-enal
CID 121006941
(6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol
CID 10456150
(1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol
CID 12809100
4-ethenyl-4,8-dimethylnon-7-en-2-ol
CID 10397794
(6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol
CID 126609123
2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
CID 12009845
6-methoxy-2,6-dimethylhept-2-ene
CID 14793993
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol
CID 11336827
(3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol
CID 10991240

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol?
The IUPAC name of (2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol (CID 15311190) is (2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol.
What is the SMILES notation for (2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol?
The canonical SMILES for (2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol is CC(C)=CCC[C@@](C)(I)[C@@H](O)CI.
What is the InChIKey of (2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol?
The InChIKey is UGBJNFWVVRBOBB-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18I2O/c1-8(2)5-4-6-10(3,12)9(13)7-11/h5,9,13H,4,6-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol?
(2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol has a molecular weight of 408.06 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol is sourced from PubChem (CID 15311190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).